2-[(4-fluorophenyl)sulfonylamino]-3-methoxy-N-[[3-[4-(trifluoromethyl)phenyl]phenyl]methyl]propanamide

C24H22F4N2O4S — CID 118222699

About 2-[(4-fluorophenyl)sulfonylamino]-3-methoxy-N-[[3-[4-(trifluoromethyl)phenyl]phenyl]methyl]propanamide

2-[(4-fluorophenyl)sulfonylamino]-3-methoxy-N-[[3-[4-(trifluoromethyl)phenyl]phenyl]methyl]propanamide (PubChem CID 118222699) has the molecular formula C24H22F4N2O4S and a molecular weight of 510.51 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)sulfonylamino]-3-methoxy-N-[[3-[4-(trifluoromethyl)phenyl]phenyl]methyl]propanamide.

Molecular Properties

• Compound Name: 2-[(4-fluorophenyl)sulfonylamino]-3-methoxy-N-[[3-[4-(trifluoromethyl)phenyl]phenyl]methyl]propanamide
• PubChem CID: 118222699
• Molecular Formula: C24H22F4N2O4S
• Molecular Weight: 510.51 g/mol
• Exact Mass: 510.12
• IUPAC Name: 2-[(4-fluorophenyl)sulfonylamino]-3-methoxy-N-[[3-[4-(trifluoromethyl)phenyl]phenyl]methyl]propanamide
• SMILES: COCC(NS(=O)(=O)c1ccc(F)cc1)C(=O)NCc1cccc(-c2ccc(C(F)(F)F)cc2)c1
• InChI: InChI=1S/C24H22F4N2O4S/c1-34-15-22(30-35(32,33)21-11-9-20(25)10-12-21)23(31)29-14-16-3-2-4-18(13-16)17-5-7-19(8-6-17)24(26,27)28/h2-13,22,30H,14-15H2,1H3,(H,29,31)
• InChIKey: KEKWLJTWNUVKSO-UHFFFAOYSA-N
• XLogP: 4.12
• TPSA: 84.50 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 9
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	510.51
LogP ≤ 5	4.12
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)sulfonylamino]-3-methoxy-N-[[3-[4-(trifluoromethyl)phenyl]phenyl]methyl]propanamide?

The IUPAC name of 2-[(4-fluorophenyl)sulfonylamino]-3-methoxy-N-[[3-[4-(trifluoromethyl)phenyl]phenyl]methyl]propanamide (CID 118222699) is 2-[(4-fluorophenyl)sulfonylamino]-3-methoxy-N-[[3-[4-(trifluoromethyl)phenyl]phenyl]methyl]propanamide.

What is the SMILES notation for 2-[(4-fluorophenyl)sulfonylamino]-3-methoxy-N-[[3-[4-(trifluoromethyl)phenyl]phenyl]methyl]propanamide?

The canonical SMILES for 2-[(4-fluorophenyl)sulfonylamino]-3-methoxy-N-[[3-[4-(trifluoromethyl)phenyl]phenyl]methyl]propanamide is COCC(NS(=O)(=O)c1ccc(F)cc1)C(=O)NCc1cccc(-c2ccc(C(F)(F)F)cc2)c1.

What is the InChIKey of 2-[(4-fluorophenyl)sulfonylamino]-3-methoxy-N-[[3-[4-(trifluoromethyl)phenyl]phenyl]methyl]propanamide?

The InChIKey is KEKWLJTWNUVKSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F4N2O4S/c1-34-15-22(30-35(32,33)21-11-9-20(25)10-12-21)23(31)29-14-16-3-2-4-18(13-16)17-5-7-19(8-6-17)24(26,27)28/h2-13,22,30H,14-15H2,1H3,(H,29,31).

What are the key properties of 2-[(4-fluorophenyl)sulfonylamino]-3-methoxy-N-[[3-[4-(trifluoromethyl)phenyl]phenyl]methyl]propanamide?

2-[(4-fluorophenyl)sulfonylamino]-3-methoxy-N-[[3-[4-(trifluoromethyl)phenyl]phenyl]methyl]propanamide has a molecular weight of 510.51 g/mol, XLogP of 4.12, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(4-fluorophenyl)sulfonylamino]-3-methoxy-N-[[3-[4-(trifluoromethyl)phenyl]phenyl]methyl]propanamide is sourced from PubChem (CID 118222699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).